Wenhao Gao

mol_opt. Python

SynNet. Python

synformer. Python

askcos_synthesizability. Jupyter Notebook

mol-opt. Mol-Opt: a toolbox for molecular design

substrate_scope_contrastive_learning. Jupyter Notebook

active_mpnn. Active Learning with directed mpnn

Mol_Generation. Molecular generation by reinforcement learning

Protein_Folding_Env. Protein modeling learning environment for deep reinforcement purpose.

mol_dqn. Implementation of generative models

MolVAE. Python

pytorch-generative-model-collections. Collection of generative models in Pytorch version.